Chem
J-GLOBAL ID：201007064394745978   Nikkaji number：J2.850.350D

Alisertib

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Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H20ClFN4O4
Molecular formula furigana： C27-H20-CL-F-N4-O4
Molecular weight： 518.929
InChI： InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
InChI key： ZLHFILGSQDJULK-UHFFFAOYSA-N
SMILES： COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c2c(F)cccc2OC)ccc1C(=O)O
Systematic name  (3)：
  • 4-[[9-クロロ-7-(2-フルオロ-6-メトキシフェニル)-1,3,6-トリアザ-5H-ジベンゾ[a,c]シクロヘプテン-2-イル]アミノ]-2-メトキシ安息香酸
  • 4-{[13-クロロ-10-(2-フルオロ-6-メトキシフェニル)-3,5,9-トリアザトリシクロ[9.4.0.02,7]ペンタデカ-1(15),2,4,6,9,11,13-ヘプタエン-4-イル]アミノ}-2-メトキシ安息香酸
  • 4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-4-yl]amino}-2-methoxybenzoic acid
Other name (5)：
  • 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-1,3,6-triaza-5H-dibenzo[a,c]cycloheptene-2-yl]amino]-2-methoxybenzoic acid
  • MLN-8237
  • 4-[[9-クロロ-7-(2-フルオロ-6-メトキシフェニル)-5H-ピリミド[5,4-d][2]ベンゾアゼピン-2-イル]アミノ]-2-メトキシ安息香酸
  • Alisertib
  • アリセルチブ
CAS registry number： 1028486-01-2
Application (2)：
antitumor drug ,  serine-threoninekinase
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